4-(Pyrrolidin-1-yl)butan-1-ol

HCID 13171952

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Grundinformationen

CAS: 93264-47-2
Standard-SMILES: OCCCCN1CCCC1
InChIKey: ONQHKOLMQDHHDN-UHFFFAOYSA-N
Summenformel: C8H17NO
Durchschnittliche Molmasse: 143,23 g/mol
Monoisotopische Masse: 143,13101417

Namen und Bezeichner

Bevorzugter Name: 4-(Pyrrolidin-1-yl)butan-1-ol
IUPAC: 4-pyrrolidin-1-ylbutan-1-ol
Englischer Name: 4-Pyrrolidin-1-yl-butan-1-ol
Summenformel: C8H17NO
Molmasse: 143.23

Namen und Synonyme

4-(pyrrolidin-1-yl)butan-1-ol93264-47-2DTXSID70524546RefChem:289435DTXCID60475351824-955-54-(1-PYRROLIDINYL)-1-BUTANOL4-PYRROLIDIN-1-YLBUTAN-1-OLMFCD032112884-PYRROLIDIN-1-YL-BUTAN-1-OL4-pyrrolidinylbutan-1-ol4-(1-Pyrrolidinyl)butanol

Weitere Namen anzeigen

AKOS BBB/437AKOS BB/0084CHEMBRDG-BB 40011601-Pyrrolidinebutanol4-pyrrolidin-1-ylbutan-1-ol(SALTDATA: FREE)

SCHEMBL8820SCHEMBL378107ONQHKOLMQDHHDN-UHFFFAOYSA-N4-(pyrrolidin-1-yl) butan-1-ol4-(Pyrrolidin-1-yl);butan-1-olTDA26447SBB080029AKOS000319730

Datenbank-Bezeichner

CAS: 93264-47-2
PubChem CID: 13171952
DTXSID: DTXSID70524546
EC Number: 824-955-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 79

Physikochemische Eigenschaften

Siedepunkt: 113 °C · 113 °C(Press: 12 Torr)
Dichte: 0.943 g/cm3 · 0.943 g/cm3
storage temp.: 2 · 2-8°C
pka: 15.13 · 15.13±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.